3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride

C5H9ClN2S — CID 158099427

IUPAC3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride
SMILESC1C[NH+]2CCSC2=N1.[Cl-]
InChIInChI=1S/C5H8N2S.ClH/c1-2-7-3-4-8-5(7)6-1;/h1-4H2;1H
InChIKeyFPBQHEHYRUIHJR-UHFFFAOYSA-N
MW164.66 g/mol
LogP-4.01
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride

3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride (PubChem CID 158099427) has the molecular formula C5H9ClN2S and a molecular weight of 164.66 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride
PubChem CID158099427
Molecular FormulaC5H9ClN2S
Molecular Weight164.66 g/mol
Exact Mass164.02
IUPAC Name3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride
SMILESC1C[NH+]2CCSC2=N1.[Cl-]
InChIInChI=1S/C5H8N2S.ClH/c1-2-7-3-4-8-5(7)6-1;/h1-4H2;1H
InChIKeyFPBQHEHYRUIHJR-UHFFFAOYSA-N
XLogP-4.01
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 5-4.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride?
The IUPAC name of 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride (CID 158099427) is 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride is C1C[NH+]2CCSC2=N1.[Cl-].
What is the InChIKey of 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride?
The InChIKey is FPBQHEHYRUIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.ClH/c1-2-7-3-4-8-5(7)6-1;/h1-4H2;1H.
What are the key properties of 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride?
3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride has a molecular weight of 164.66 g/mol, XLogP of -4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride is sourced from PubChem (CID 158099427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).